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Information card for entry 7101621
Preview
Coordinates | 7101621.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 F3 N O4 P Pd S |
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Calculated formula | C18 H19 F3 N O4 P Pd S |
SMILES | [Pd]1([P](CC2OCC[N]1=2)(c1ccccc1)c1ccccc1)(OS(=O)(=O)C(F)(F)F)C |
Title of publication | Structurally characterized intermediates in the stepwise insertion of CO-ethylene or CO-methyl acrylate into the metal-carbon bond of Pd(II) complexes stabilized by (phosphinomethyl)oxazoline ligands. |
Authors of publication | Agostinho, Magno; Braunstein, Pierre |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 1 |
Pages of publication | 58 - 60 |
a | 17.471 ± 0.0002 Å |
b | 13.178 ± 0.0002 Å |
c | 29.302 ± 0.0003 Å |
α | 90° |
β | 107.12 ± 0.0006° |
γ | 90° |
Cell volume | 6447.36 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1742 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.1518 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7101621.html
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